2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine

C12H21N5 — CID 114088533

IUPAC2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
SMILESCCC1CN(C)CCCN1c1nccc(N)n1
InChIInChI=1S/C12H21N5/c1-3-10-9-16(2)7-4-8-17(10)12-14-6-5-11(13)15-12/h5-6,10H,3-4,7-9H2,1-2H3,(H2,13,14,15)
InChIKeyGQOKZHYSQHRLRF-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine

2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine (PubChem CID 114088533) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
PubChem CID114088533
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
SMILESCCC1CN(C)CCCN1c1nccc(N)n1
InChIInChI=1S/C12H21N5/c1-3-10-9-16(2)7-4-8-17(10)12-14-6-5-11(13)15-12/h5-6,10H,3-4,7-9H2,1-2H3,(H2,13,14,15)
InChIKeyGQOKZHYSQHRLRF-UHFFFAOYSA-N
XLogP0.98
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-2-methylpyridin-3-amine
CID 114086197
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)aniline
CID 114086199
4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 114087642
6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136726404
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796481
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-3-iodoaniline
CID 114086195
3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136726402
2-(2-ethylpyrrolidin-1-yl)pyrimidine-4-carbothioamide
CID 107546728
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine (CID 114088533) is 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine is CCC1CN(C)CCCN1c1nccc(N)n1.
What is the InChIKey of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
The InChIKey is GQOKZHYSQHRLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-10-9-16(2)7-4-8-17(10)12-14-6-5-11(13)15-12/h5-6,10H,3-4,7-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114088533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).